Chlorine in PDB 2vob: Trypanothione Synthetase

All present enzymatic activity of Trypanothione Synthetase:
6.3.1.9;

The structure of Trypanothione Synthetase, PDB code: 2vob was solved by P.K.Fyfe, S.L.Oza, A.H.Fairlamb, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.3
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.120, 127.710, 88.790, 90.00, 94.56, 90.00
R / Rfree (%)	19 / 25.1

The binding sites of Chlorine atom in the Trypanothione Synthetase (pdb code 2vob). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Trypanothione Synthetase, PDB code: 2vob:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Trypanothione Synthetase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Trypanothione Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1653 b:11.8 occ:1.00 O A:HOH2001 3.1 2.0 1.0 NH2 A:ARG452 3.3 8.6 1.0 O A:HOH2250 3.4 18.8 1.0 NE A:ARG6 3.6 2.0 1.0 CG A:ARG6 3.7 2.0 1.0 CB A:ARG6 3.9 2.0 1.0 NH1 A:ARG452 4.2 9.6 1.0 CD A:ARG6 4.2 2.0 1.0 CZ A:ARG452 4.2 8.8 1.0 CA A:ARG6 4.4 2.0 1.0 O A:HOH2248 4.5 13.9 1.0 CZ A:ARG6 4.5 2.0 1.0 O A:HOH2216 4.6 2.5 1.0 NH2 A:ARG6 4.6 2.0 1.0 O A:HOH2281 4.7 8.3 1.0 OG1 A:THR395 4.8 15.5 1.0 N A:ALA7 5.0 2.0 1.0

Chlorine binding site 2 out of 2 in the Trypanothione Synthetase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Trypanothione Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1653 b:15.8 occ:1.00 O B:HOH2001 3.1 11.4 1.0 NH2 B:ARG452 3.2 7.1 1.0 N A:LYS547 3.4 12.9 1.0 O B:HOH2003 3.6 31.2 1.0 CA A:ALA546 3.8 11.7 1.0 NE B:ARG6 3.8 16.5 1.0 CG B:ARG6 4.0 15.5 1.0 C A:ALA546 4.1 12.2 1.0 CZ B:ARG452 4.1 8.4 1.0 CB A:LYS547 4.2 13.7 1.0 NH1 B:ARG452 4.2 10.4 1.0 O A:LYS547 4.3 15.2 1.0 O A:TYR545 4.3 7.9 1.0 CA A:LYS547 4.3 14.1 1.0 CB B:ARG6 4.3 16.6 1.0 CB A:ALA546 4.3 11.1 1.0 CD B:ARG6 4.5 15.9 1.0 CA B:ARG6 4.5 16.4 1.0 O B:HOH2002 4.6 18.4 1.0 OG1 B:THR395 4.6 7.7 1.0 NH2 B:ARG6 4.7 16.8 1.0 CZ B:ARG6 4.7 15.8 1.0 O B:HOH2004 4.7 9.9 1.0 O B:HOH2201 4.8 6.3 1.0 C A:LYS547 4.8 15.2 1.0 N A:ALA546 4.8 10.2 1.0 C A:TYR545 5.0 9.3 1.0

P.K.Fyfe, S.L.Oza, A.H.Fairlamb, W.N.Hunter. Leishmania Trypanothione Synthetase-Amidase Structure Reveals A Basis For Regulation of Conflicting Synthetic and Hydrolytic Activities. J.Biol.Chem. V. 283 17672 2008.
ISSN: ISSN 0021-9258
PubMed: 18420578
DOI: 10.1074/JBC.M801850200